4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯
TL;DR: 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯 (CAS 109176-12-7) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯
ethyl 5-methyl-2-propyl-2,3-dihydrofuran-4-carboxylate
Also Known As: Ethyl 4-carboethoxy-5-methyl-2-propyl-2,3-dihydrofuran, 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester, J1.556.638H, ethyl 5-methyl-2-propyl-2,3-dihydrofuran-4-carboxylate, 2 -propyl-4-carbethoxy-5-methyl-2,3-dihydrofuran
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 109176-12-7 |
|---|---|
| SMILES | CCCC1CC(=C(O1)C)C(=O)OCC |
| InChIKey | PDHWNPMFVJZGPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯 (CAS 109176-12-7), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: ethyl 5-methyl-2-propyl-2,3-dihydrofuran-4-carboxylate.
Chemical Property Profile of 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯
Property Insights of 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯. With a topological polar surface area (TPSA) of 35.5 Ų, 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯?
The CAS number of 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯 is 109176-12-7.
What is the molecular formula of 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯?
The molecular formula of 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯 is C11H18O3.
What is the molecular weight of 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯?
The molecular weight of 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯 is 198.13 g/mol.
Where can I buy 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯?
You can request a quote for 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 4,5-二氢-2-甲基-5-丙基呋喃-3-甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.